Hexamethyl Benzenehexacarboxylate
TL;DR: Hexamethyl Benzenehexacarboxylate (CAS 6237-59-8) is a chemical compound with molecular formula C18H18O12 and molecular weight 426.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate
Also Known As: Hexamethyl benzenehexacarboxylate, Hexamethyl mellitate, Benzenehexacarboxylic Acid Hexamethyl Ester, Mellitic acid hexamethyl, hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate
| Molecular Formula | C18H18O12 |
|---|---|
| Molecular Weight | 426.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 426.07983 |
| Heavy Atoms | 30 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 6237-59-8 |
|---|---|
| SMILES | COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC |
| InChIKey | BQLICNRRYLYEDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexamethyl Benzenehexacarboxylate (CAS 6237-59-8), with molecular formula C18H18O12 and molecular weight 426.08 g/mol. IUPAC: hexamethyl benzene-1,2,3,4,5,6-hexacarboxylate.
Chemical Property Profile of Hexamethyl Benzenehexacarboxylate
Property Insights of Hexamethyl Benzenehexacarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexamethyl Benzenehexacarboxylate. The TPSA of 158.0 Ų indicates high polarity, suggesting Hexamethyl Benzenehexacarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Hexamethyl Benzenehexacarboxylate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Hexamethyl Benzenehexacarboxylate?
The CAS number of Hexamethyl Benzenehexacarboxylate is 6237-59-8.
What is the molecular formula of Hexamethyl Benzenehexacarboxylate?
The molecular formula of Hexamethyl Benzenehexacarboxylate is C18H18O12.
What is the molecular weight of Hexamethyl Benzenehexacarboxylate?
The molecular weight of Hexamethyl Benzenehexacarboxylate is 426.08 g/mol.
Where can I buy Hexamethyl Benzenehexacarboxylate?
You can request a quote for Hexamethyl Benzenehexacarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexamethyl Benzenehexacarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Hexamethyl Benzenehexacarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.